N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine

C11H13N3S — CID 115628477

IUPACN-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C=C/CCNc1ncnc2sccc12
InChIInChI=1S/C11H13N3S/c1-2-3-4-6-12-10-9-5-7-15-11(9)14-8-13-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)/b3-2+
InChIKeyBJROYIQALZFMMJ-NSCUHMNNSA-N
MW219.31 g/mol
LogP3.07
Rot. Bonds4

About N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine

N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 115628477) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID115628477
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C=C/CCNc1ncnc2sccc12
InChIInChI=1S/C11H13N3S/c1-2-3-4-6-12-10-9-5-7-15-11(9)14-8-13-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)/b3-2+
InChIKeyBJROYIQALZFMMJ-NSCUHMNNSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine (CID 115628477) is N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine is C/C=C/CCNc1ncnc2sccc12.
What is the InChIKey of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BJROYIQALZFMMJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-3-4-6-12-10-9-5-7-15-11(9)14-8-13-10/h2-3,5,7-8H,4,6H2,1H3,(H,12,13,14)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115628477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).